Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyI}-4-methylphenol

Kansiz S., Gul A., DEGE N., Ağar E., Saif E.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.1087-1095, 2021 (ESCI) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 77
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1107/s20569890201010215
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1087-1095
  • Anahtar Kelimeler: crystal structure, Schiff base, enol, imine tautomer, C-H center dot center dot center dot 7 interactions, Hirshfeld, surface analysis, SCHIFF-BASE
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title compound, C16Hi7NO, is a Schiff base that exists in the enol imine tautomeric form and adopts a Z configuration. The molecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4). The intramolecular 0 H" " "N hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by C H" " "7r interactions and very weak 7r-rr stacking interactions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different intermolecular contacts within the supramolecular structure. The major contributions are from H" " "H (65%), C" " "H (19.2%) and 0- " "H (6.6%) interactions.